1-heptyl-4-[(1E,5E)-6-(4-heptylcyclohexyl)hexa-1,5-dien-3-ynyl]cyclohexane

Systemtic Name: 1-heptyl-4-[(1E,5E)-6-(4-heptylcyclohexyl)hexa-1,5-dien-3-ynyl]cyclohexane Openeye Name: 1-heptyl-4-[(1E,5E)-6-(4-heptylcyclohexyl)hexa-1,5-dien-3-ynyl]cyclohexane CAS Name: 1-heptyl-4-[(1E,5E)-6-(4-heptylcyclohexyl)hexa-1,5-dien-3-ynyl]cyclohexane IUPAC Name: 1-heptyl-4-[(1E,5E)-6-(4-heptylcyclohexyl)hexa-1,5-dien-3-ynyl]cyclohexane Traditional Name: 1-heptyl-4-[(1E,5E)-6-(4-heptylcyclohexyl)hexa-1,5-dien-3-ynyl]cyclohexane Formula: C32H54 MolecularWeight: 438.77116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C=CC#CC=CC2CCC(CC2)CCCCCCC

Isomeric SMILES

CCCCCCCC1CCC(CC1)/C=C/C#C/C=C/C2CCC(CC2)CCCCCCC

InChI

InChI=1S/C32H54/c1-3-5-7-9-13-17-29-21-25-31(26-22-29)19-15-11-12-16-20-32-27-23-30(24-28-32)18-14-10-8-6-4-2/h15-16,19-20,29-32H,3-10,13-14,17-18,21-28H2,1-2H3/b19-15+,20-16+